2-[methyl(1,2,3,4-tetrahydroquinolin-6-yl)amino]-N-propylacetamide

C15H23N3O — CID 81214504

IUPAC2-[methyl(1,2,3,4-tetrahydroquinolin-6-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H23N3O/c1-3-8-17-15(19)11-18(2)13-6-7-14-12(10-13)5-4-9-16-14/h6-7,10,16H,3-5,8-9,11H2,1-2H3,(H,17,19)
InChIKeyJZOGPYGHLSHWML-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.01
Rot. Bonds5

About 2-[methyl(1,2,3,4-tetrahydroquinolin-6-yl)amino]-N-propylacetamide

2-[methyl(1,2,3,4-tetrahydroquinolin-6-yl)amino]-N-propylacetamide (PubChem CID 81214504) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[methyl(1,2,3,4-tetrahydroquinolin-6-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl(1,2,3,4-tetrahydroquinolin-6-yl)amino]-N-propylacetamide
PubChem CID81214504
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[methyl(1,2,3,4-tetrahydroquinolin-6-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H23N3O/c1-3-8-17-15(19)11-18(2)13-6-7-14-12(10-13)5-4-9-16-14/h6-7,10,16H,3-5,8-9,11H2,1-2H3,(H,17,19)
InChIKeyJZOGPYGHLSHWML-UHFFFAOYSA-N
XLogP2.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-[methyl(1,2,3,4-tetrahydroquinolin-7-yl)amino]acetamide
CID 81214860
2-[methyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-propylacetamide
CID 81214576
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60936689
N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-6-yl)ethane-1,2-diamine
CID 81214955
N-(2,2-dimethylpropyl)-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215158
2-[methyl(1,2,3,4-tetrahydroquinolin-7-yl)amino]acetamide
CID 81215351
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60926593
N-ethyl-N-propyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215271
2-methyl-4-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzoic acid
CID 62135454
N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 113426014
N-methyl-N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106915205
N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215327

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1,2,3,4-tetrahydroquinolin-6-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[methyl(1,2,3,4-tetrahydroquinolin-6-yl)amino]-N-propylacetamide (CID 81214504) is 2-[methyl(1,2,3,4-tetrahydroquinolin-6-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl(1,2,3,4-tetrahydroquinolin-6-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl(1,2,3,4-tetrahydroquinolin-6-yl)amino]-N-propylacetamide is CCCNC(=O)CN(C)c1ccc2c(c1)CCCN2.
What is the InChIKey of 2-[methyl(1,2,3,4-tetrahydroquinolin-6-yl)amino]-N-propylacetamide?
The InChIKey is JZOGPYGHLSHWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-8-17-15(19)11-18(2)13-6-7-14-12(10-13)5-4-9-16-14/h6-7,10,16H,3-5,8-9,11H2,1-2H3,(H,17,19).
What are the key properties of 2-[methyl(1,2,3,4-tetrahydroquinolin-6-yl)amino]-N-propylacetamide?
2-[methyl(1,2,3,4-tetrahydroquinolin-6-yl)amino]-N-propylacetamide has a molecular weight of 261.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1,2,3,4-tetrahydroquinolin-6-yl)amino]-N-propylacetamide is sourced from PubChem (CID 81214504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).